Fig. 5

Examples of Class 2 phosphorylation site effects. A Unmodified state of inactive insulin-like growth factor 1 receptor (PDB: 3 NW7, shown in grey). B PTM-modified state of inactive insulin-like growth factor 1 receptor. Phosphorylated insulin receptor (PDB: 1IR3) shown in dark grey. Experimental position of the drug (PDB id: LGV) and Tyr1161 are shown in magenta and thick sticks. Activation loop of inactive receptor is shown in salmon, active and modeled in green. C Unmodified state of mitogen-activated protein kinase 1 (MAP2 K1) (PDB: 4LMN, shown in grey). D PTM-modified state of MAP2 K1. Experimental position of the drug (PDB id: EUI) and Ser222 are shown in magenta and thick sticks. Drug positions modelled by RFAA shown in green, Chai-1 in orange, KarmaDock in cyan, AlphaFold3 in slate. Chai-1 model structures shown in light yellow, AlphaFold3 models in light blue. The phosphorylated residue is shown in colors corresponding to the methods by which it was modeled